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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103604

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1103604
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['La', 'N', 'Cl']
  • Chemical System: Cl-La-N
  • Density: 4.383809042914642
  • Atomic Density: 0.03978121136968171
  • Unit Cell Volume: 301.6499394270711
  • Molar Volume: 15.138153295627466
  • Full Formula: La4 N2 Cl6
  • Reduced Formula: La2NCl3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -78.48977563000001
  • Final energy per atom: -6.540814635833335
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.